N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

C18H22FN3O2 — CID 110625213

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22FN3O2/c1-11-17(14-9-12(19)7-8-15(14)21-11)18(24)20-10-16(23)22-13-5-3-2-4-6-13/h7-9,13,21H,2-6,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyYVVMBPACNUTALV-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110625213) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110625213
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22FN3O2/c1-11-17(14-9-12(19)7-8-15(14)21-11)18(24)20-10-16(23)22-13-5-3-2-4-6-13/h7-9,13,21H,2-6,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyYVVMBPACNUTALV-UHFFFAOYSA-N
XLogP2.79
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-(cyclohexylamino)-2-oxoethyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110353932
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110625213) is N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)NCC(=O)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is YVVMBPACNUTALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11-17(14-9-12(19)7-8-15(14)21-11)18(24)20-10-16(23)22-13-5-3-2-4-6-13/h7-9,13,21H,2-6,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110625213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).